2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine

C18H25Cl2N — CID 63408171

IUPAC2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine
SMILESNC1(c2ccc(Cl)c(Cl)c2)CCCCC1C1CCCCC1
InChIInChI=1S/C18H25Cl2N/c19-16-10-9-14(12-17(16)20)18(21)11-5-4-8-15(18)13-6-2-1-3-7-13/h9-10,12-13,15H,1-8,11,21H2
InChIKeyKEMJBCRZAXHVME-UHFFFAOYSA-N
MW326.31 g/mol
LogP5.92
Rot. Bonds2

About 2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine

2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine (PubChem CID 63408171) has the molecular formula C18H25Cl2N and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine
PubChem CID63408171
Molecular FormulaC18H25Cl2N
Molecular Weight326.31 g/mol
Exact Mass325.14
IUPAC Name2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine
SMILESNC1(c2ccc(Cl)c(Cl)c2)CCCCC1C1CCCCC1
InChIInChI=1S/C18H25Cl2N/c19-16-10-9-14(12-17(16)20)18(21)11-5-4-8-15(18)13-6-2-1-3-7-13/h9-10,12-13,15H,1-8,11,21H2
InChIKeyKEMJBCRZAXHVME-UHFFFAOYSA-N
XLogP5.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.31
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Desmethylsertraline
CID 114743
Dasotraline
CID 9947999
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-3-methylbutan-1-amine
CID 24860903
4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 577181
(1S,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 10356972
C-[3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2-yl]-methylamine
CID 20161638
rac-cis-N-Desmethyl Sertraline Hydrochloride
CID 25008634
1,3-Bis(3,4-dichlorophenyl)propan-1-amine
CID 46230927
cis-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 40418811
1-(3,4-Dichlorophenyl)-2-methylpropan-1-amine
CID 12559049
1-(3,4-Dichlorophenyl)-1-phenylmethanamine
CID 16244342
1-(4-Chlorophenyl)cyclohexan-1-amine
CID 24273946

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine (CID 63408171) is 2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine is NC1(c2ccc(Cl)c(Cl)c2)CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine?
The InChIKey is KEMJBCRZAXHVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N/c19-16-10-9-14(12-17(16)20)18(21)11-5-4-8-15(18)13-6-2-1-3-7-13/h9-10,12-13,15H,1-8,11,21H2.
What are the key properties of 2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine?
2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine has a molecular weight of 326.31 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,4-dichlorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 63408171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).